Lxt-101
Basic information
- CAS
144208-19-5- Standard SMILES
CC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc1cccnc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(N)=O- InChIKey
CRMRBNHNJMIODJ-OIIKBFRESA-N- Molecular formula
- C70H93ClN18O12
- Average molar mass
- 1,414.1 g/mol
- Monoisotopic mass
- 1,412.6908882
Overview
structure in first source
Names & identifiers
- Preferred name
- Lxt-101
- IUPAC
- (2S)-1-[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-acetamido-3-naphthalen-2-ylpropanoyl]amino]-3-(4-chlorophenyl)propanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-pyridin-3-ylpropanoyl]amino]-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]-N-[(2R)-1-amino-1-oxopropan-2-yl]pyrrolidine-2-carboxamide
Names & synonyms
LXT-101RefChem:154461SCHEMBL30130515DTXSID701339229144208-19-5N-Acetyl-3-(2-naphthalenyl)-D-alanyl-4-chloro-D-phenylalanyl-D-phenylalanyl-L-seryl-L-arginyl-3-(3-pyridinyl)-D-alanyl-L-leucyl-L-arginyl-L-prolyl-D-alaninamide
Database identifiers
- CAS
144208-19-5- PubChem CID
- 46174261
- DTXSID
DTXSID701339229- Nikkaji
- J2.355.301E
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 487 Ų
- Hydrogen bond donors
- 15
- Hydrogen bond acceptors
- 15
- Rotatable bonds
- 38
- Heavy atoms
- 101
- Formal charge
- 0
- Complexity
- 2,810
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Related reactions
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Compound notes
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